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Eriocalyxin B

CAT: 0013-GTR19165293-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165293-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Eriocalyxin B is a covalent STAT3 inhibitor that induces apoptosis and cell cycle arrest in pancreatic adenocarcinoma via caspase- and p53-dependent pathways. Its efficacy, demonstrated in vitro, supports its investigation as a candidate therapeutic agent for STAT3-dependent cancers.
CAS Number
84745-95-9
Product Name Alternative
STAT, cAMP, Apoptosis, inhibit, p65, NFkB, NF-kB, NFκB, Eriocalyxin B, Inhibitor
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Molecular Biology, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.35% (May vary between batches)
Solubility
DMSO:55 mg/mL (159.7 mM)
Smiles
[H][C@@]12C[C@@]3 (C (=O) C1=C) [C@@] ([H]) (CC2) [C@@]12CO[C@]3 (O) [C@@H] (O) [C@]1 ([H]) C (C) (C) C=CC2=O
Molecular Formula
C20H24O5
Molecular Weight
344.4
Storage Conditions
Keep away from direct sunlight, store under nitrogen | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Eriocalyxin B

(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione has been reported in Isodon eriocalyx with data available.

CAS Number84745-95-9
PubChem CID16202215
IUPAC Name(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione
Molecular FormulaC20H24O5
Molecular Weight344.4
XLogP1.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity766
SMILES
CC1(C=CC(=O)[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)C(=C)C5=O)(OC3)O)O)C
InChI
InChI=1S/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11-,12+,14-,16+,18-,19+,20-/m1/s1
InChIKey
RTIKCEKESDRWAE-UJVKWQRCSA-N
Chemical Structure
2D Structure
2D structure of Eriocalyxin B
CAS: 84745-95-9
CID: 16202215
Formula: C20H24O5
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass344.16237386
Monoisotopic Mass344.16237386
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity766
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
JDA74595-01Eriocalyxin B
HY-N3828Epi-Eriocalyxin A

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